NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2658 8.1693 120.6280 55.0728 42.3374 175.6922 4 T 4.3041 8.1970 113.5843 58.5422 71.6185 172.1356 5 D 4.5602 8.4399 120.7710 53.6377 42.9954 177.4926 6 Q 4.0859 8.6111 128.0104 58.3557 29.3147 177.3201 7 K 4.0873 8.1957 120.3318 58.9591 32.2733 178.7809 8 R 3.8556 8.4717 118.8483 59.2634 30.0225 178.7323 9 E 3.9504 7.9884 117.8758 59.3270 29.4492 179.0346 10 S 4.0561 8.0668 113.1753 61.8144 62.3656 176.5883 11 I 3.6943 7.6332 121.5521 64.2288 36.8832 178.4629 12 V 3.4271 8.1064 119.4616 66.1155 31.3109 177.9078 13 Q 3.9235 8.5730 117.6041 59.1625 28.6104 178.9684 14 A 3.8996 7.9862 121.2410 54.9856 18.2867 179.5665 15 A 3.2267 7.8134 119.3981 54.9271 18.2768 179.9446 16 I 3.6593 7.7296 118.0387 64.4161 37.2592 178.3239 17 A 3.9555 7.8922 121.4182 55.3867 18.2463 179.5526 18 E 3.8475 8.3021 117.1811 59.6775 29.2040 179.7957 19 F 5.1697 7.7314 119.4832 59.8864 38.6834 177.9788 20 G 3.6862 8.2707 105.3424 47.5155 0.0000 175.2479 21 D 4.5478 7.8958 120.4606 57.0051 41.2670 178.6257 22 R 4.2449 8.5961 118.2002 56.1296 30.8415 177.5513 23 G 4.1065 7.7835 104.0261 45.5960 0.0000 174.2791 24 F 3.8334 8.7957 120.6496 61.1801 39.6722 177.5120 25 E 3.8273 8.2067 118.7777 59.0737 29.4381 178.3181 26 I 3.9240 7.5978 110.1716 62.5534 38.2522 175.9452 27 T 4.3104 7.4388 119.6253 63.2022 69.9594 173.8404 28 S 4.6720 8.0371 120.1179 58.2615 62.5001 176.6901 *30 D 4.4548 8.6464 116.1261 53.0779 40.6829 177.6898 31 R 3.7987 7.6634 119.3962 59.1943 29.9663 178.2107 32 I 3.5437 7.8301 119.6984 64.5888 37.0899 178.1846 33 A 3.9349 7.8130 120.4621 55.0830 18.0291 179.1499 34 A 3.9739 8.1106 118.9307 54.6200 18.1889 179.0253 35 R 4.3778 7.4887 111.2948 56.7659 30.5817 177.9521 36 A 3.6948 8.2838 120.9521 52.4028 19.0390 176.6049 37 E 3.7203 7.7027 115.9250 57.5291 27.4536 173.9104 38 V 4.5640 8.0028 116.2048 59.4884 35.3019 175.1371 39 S 4.5063 8.0600 114.7186 57.4011 64.2953 175.5588 40 K 3.9268 8.7895 123.3070 59.8203 31.8474 178.8334 41 R 4.0213 8.0908 118.4993 59.8977 29.8161 178.6482 42 T 3.9422 8.0147 109.2359 64.3053 68.6162 176.6561 43 V 3.6135 7.6747 121.1735 66.3369 31.4579 177.4746 44 Y 4.7709 7.5471 116.0002 60.2608 37.6886 177.6742 45 N 4.4727 7.9207 117.0205 56.8111 38.7827 176.8021 46 H 4.3891 7.5363 115.3307 57.1133 29.2364 175.9055 47 F 4.8067 8.1521 121.0465 55.0643 41.0119 173.9663 48 P 4.8513 0.0000 0.0000 64.1157 31.7852 176.9834 49 S 4.7839 7.7752 111.6563 56.3277 66.2054 176.2945 50 K 4.0243 8.5945 122.4034 59.8251 31.7651 178.9167 51 E 4.4227 8.4923 118.2745 59.9925 29.2488 179.2229 52 E 4.3590 7.9033 116.4227 58.7699 29.8233 178.2809 53 L 3.7928 7.9386 120.5325 57.7267 42.0578 178.3013 54 F 4.0288 9.1424 120.4064 61.2783 39.5388 176.4646 55 A 4.1224 8.7512 120.7204 55.0128 18.1588 178.9792 56 E 3.8148 7.6362 115.8840 56.7992 29.7237 178.3616 *58 L 3.3347 7.8523 118.9620 54.2616 43.8031 178.3964 59 Q 3.1805 7.3662 117.1552 58.9595 28.7634 180.3977 60 R 3.5816 7.1674 114.8315 58.4885 30.2642 177.0935 61 L 3.6405 7.1079 121.4590 56.5389 41.7585 177.3487 62 W 4.5239 6.8366 116.4417 57.5283 28.8281 177.5790 63 N 4.6096 7.3886 117.4324 56.0371 38.1496 175.1499 64 C 4.4529 8.3298 115.7224 57.9453 31.4904 172.8372 *73 Y 4.8667 8.3323 125.0212 57.4577 39.3172 174.0437 74 R 4.4424 7.4214 124.9683 53.9227 32.7585 173.9012 75 P 3.2399 0.0000 0.0000 64.2103 32.3135 176.8458 76 L 4.5834 7.6605 124.1244 53.9690 43.2648 175.1978 77 V 4.2336 7.4211 121.1491 59.4265 33.7830 177.6917 78 S 4.2832 8.4063 116.6693 58.3534 64.5204 174.8846 79 L 4.2906 8.8172 125.5328 58.5987 41.4498 179.3588 80 R 3.9733 8.2925 117.4947 59.7856 29.7793 177.4567 81 E 3.9723 8.4193 118.6517 59.6105 29.8477 179.1456 82 Q 4.0180 8.1429 117.4639 59.2533 28.7132 178.1295 83 L 3.2751 8.7089 122.7280 57.0522 41.9654 178.3653 84 L 3.8325 8.4657 121.0173 58.3703 42.0136 178.4563 85 E 4.0056 7.9598 118.5371 59.4462 29.4277 178.9815 86 L 3.8551 7.4582 118.2493 57.8257 41.4471 179.4534 87 L 3.8757 7.4082 117.4184 57.4346 41.5099 179.4332 88 W 4.4205 8.1360 118.3156 59.6131 29.1687 178.1541 89 G 4.1347 8.1394 105.7756 47.9525 0.0000 177.5039 90 K 4.1137 8.0791 121.4944 56.1238 32.3285 178.6674 *92 R 4.4107 8.0585 118.5466 55.8626 32.2160 177.9105 93 N 4.2857 7.9037 114.6768 56.0582 38.5996 176.7104 94 L 4.0525 7.5107 116.6860 57.3607 41.8012 177.6651 95 T 4.5723 7.0916 113.7373 63.7488 69.1171 174.6870 96 D 4.9055 7.8840 121.1001 52.2465 43.6338 175.2324 97 S 4.2428 8.7467 123.2883 61.3407 63.0365 176.3843 98 S 4.2231 8.2296 117.6736 60.9392 62.8544 176.1615 99 F 4.0653 8.6380 124.5387 61.1242 39.1576 177.0980 100 L 3.9742 8.3005 118.7118 57.8815 41.4184 179.1669 101 D 4.3092 8.0667 118.6957 57.3063 40.7544 178.5933 102 L 3.8164 7.5571 119.9449 58.0847 41.9865 178.5100 103 A 3.8237 7.7226 120.8933 55.4014 18.1956 179.6137 104 R 3.7966 8.1353 116.4633 59.7562 30.1716 179.7422 105 V 3.7505 7.8828 111.8902 64.3447 31.4917 179.0607 106 V 3.6158 8.1601 118.4074 65.9617 31.4504 178.0788 107 V 3.8433 8.2243 118.5138 66.2935 31.1248 178.1873 108 G 3.6499 8.6143 104.0358 47.7170 0.0000 175.0497 109 A 4.1148 8.1156 122.0638 53.9800 18.8543 178.8217 110 T 4.2211 7.8166 107.7878 62.8826 69.4452 176.7782 111 I 3.5251 7.5662 121.6606 64.1553 37.8634 177.0294 112 H 4.8139 7.9569 114.1952 55.6239 29.1553 175.5108 113 S 4.4361 7.8683 114.8807 54.8792 63.7875 171.5219 114 P 4.2088 0.0000 0.0000 65.7204 31.4324 177.8425 115 E 3.9368 8.1761 117.1731 59.2748 29.5561 178.5193 116 R 3.9892 7.7888 118.5212 58.6660 30.1070 178.2377 117 A 4.1299 8.3024 121.5804 55.1122 18.3241 179.4250 118 Q 4.1226 8.3821 115.4540 58.7213 28.5730 178.6296 119 V 3.8932 7.4962 113.8025 63.3248 31.6777 178.1080 120 W 4.2219 8.4022 128.5415 60.4594 30.4844 177.8091 121 L 4.3493 8.2890 117.3845 57.9280 40.3163 178.3313 122 A 4.2030 7.7895 121.4104 54.4528 18.5652 178.8299 123 R 4.2033 7.6495 114.3324 56.7307 30.5033 176.7983 124 I 3.9254 7.0873 118.6548 60.6922 38.1015 174.9558 125 N 5.0697 7.8923 113.6750 52.4332 39.8232 175.2374 126 E 4.4834 7.6282 115.0475 53.7216 30.5109 174.8359 *129 E 4.1711 7.6836 119.6283 56.0581 32.7377 177.1088 130 T 3.9563 8.1289 115.9675 67.0547 68.7155 176.9843 131 F 4.3593 8.5344 119.1405 60.6220 38.9701 177.4116 132 S 4.1719 9.1141 112.9247 61.5565 62.2279 175.9677 133 A 4.0642 8.1950 123.2830 54.9877 18.0302 179.4455 134 W 4.0199 8.3208 126.3325 60.7409 30.8170 178.0010 135 I 3.6387 8.1712 119.8369 64.5807 36.6181 178.2023 136 R 3.7568 8.0302 118.9003 59.3392 29.8321 178.3665 137 A 3.6702 7.7578 120.1248 55.0540 18.4031 179.3335 138 A 2.5800 7.3668 119.4690 54.8770 18.1060 179.9478 139 Q 3.7697 7.8674 116.5652 59.0685 28.5910 179.0790 140 K 3.8479 7.5576 118.1771 59.1126 32.1214 177.9246 141 D 4.6185 7.4854 115.2917 53.5478 41.3718 175.9872 142 G 3.8310 7.9398 105.9253 47.8109 0.0000 174.7240 143 R 4.5469 7.9141 118.8417 55.5582 32.3922 176.1691 144 L 5.2532 7.6153 117.2657 52.3943 45.2400 176.0645 145 K 4.3279 8.5985 123.0306 54.7943 33.2469 174.9570 146 P 4.2461 0.0000 0.0000 63.3489 31.2903 175.7941 147 V 4.3334 7.8141 119.8947 58.9181 34.5091 173.4265 148 D 4.3530 8.6174 119.9234 54.1160 41.7707 174.6945 149 P 4.3721 0.0000 0.0000 66.0935 31.4826 178.6885 150 G 3.6650 8.2365 103.7103 47.6688 0.0000 175.2880 151 F 4.1053 8.4277 122.8114 61.1286 39.2041 177.1753 152 A 4.3197 8.1218 119.0584 55.1577 18.2907 179.1280 153 A 4.1865 8.1433 118.4367 55.5247 18.7436 179.6699 154 T 4.0911 7.8608 113.8049 66.8232 68.4791 177.7918 155 Q 4.2412 7.5062 115.3853 57.0131 28.4644 178.1262 *157 H 4.7082 8.3529 117.2639 55.9287 30.8941 175.5087 158 A 4.1825 8.6463 121.3316 55.3867 17.8826 179.6835 159 L 4.1641 8.1679 116.2189 57.0008 41.7992 178.9034 160 L 4.5579 7.7965 118.1602 56.8843 42.6149 178.8658 161 K 4.0976 8.5482 118.8960 59.2783 31.7194 179.3228 162 S 4.3941 7.9928 113.0142 60.2881 62.9966 175.3788 163 F 4.8394 8.1683 119.5687 58.0082 40.5727 176.3732 164 A 4.8400 8.3792 116.9360 52.4579 19.6804 175.8895 165 F 4.6293 8.6247 118.2195 58.2012 42.4727 176.6427 166 W 4.5382 8.2059 119.0766 59.8885 29.2842 176.5234 167 P 4.6308 0.0000 0.0000 66.1302 30.7994 178.6319 168 Q 4.2930 7.9864 116.1484 58.7981 28.5809 178.5144 169 V 3.4717 7.6032 118.8837 65.4259 31.5699 177.4572 170 T 4.1363 8.1514 108.5224 62.5234 69.4134 175.4917 171 F 4.8224 7.8334 116.6511 56.1259 40.4560 175.0511 172 N 4.5484 8.4913 116.0578 53.1962 35.6987 173.8064 173 A 4.2632 7.5814 119.7328 51.3405 19.9238 177.6715 174 A 4.2456 8.2887 122.6202 51.7184 19.1278 177.8971 175 L 4.2465 8.1928 119.3339 54.5965 42.3257 177.5175 176 L 4.3988 8.2936 121.3620 54.5061 42.3783 178.1151 177 T 4.1310 8.7322 113.8990 61.1486 70.6580 173.7728 178 P 4.3778 0.0000 0.0000 65.9662 31.3846 178.5998 179 Q 4.0264 8.2111 116.2255 59.4204 28.6760 178.7223 180 E 3.9250 8.0978 118.5646 59.7074 29.4665 179.6900 181 Q 3.9232 8.3777 118.3403 59.1119 28.8964 179.1345 182 S 3.9654 8.3630 115.0965 60.8606 63.2554 175.6151 183 N 4.1373 8.1822 120.9087 57.0330 38.6008 177.2311 184 V 3.3896 7.5554 113.3615 64.0149 31.6001 178.6720 185 V 3.2952 7.5806 118.1760 65.8703 31.1959 177.3729 186 E 3.8690 8.3873 119.3718 59.6125 29.2498 179.1224 187 S 4.1431 7.7993 112.3216 61.1252 63.0706 175.8291 188 A 4.1720 7.8987 123.7338 55.0530 18.4816 178.6651 189 L 4.1089 8.2431 118.8771 58.7481 42.0554 179.7209 190 N 4.4887 8.3432 112.1015 54.3130 38.2375 176.5702 *192 F 4.7569 7.9318 123.3938 58.4257 41.2868 177.1997 193 L 4.2861 8.9814 120.8447 57.3798 41.1041 179.4756 194 G 3.9876 7.9241 105.3727 47.8000 0.0000 174.8772 195 W 4.4456 7.9331 128.5453 59.3861 31.4034 176.5809 196 Y 4.0775 7.7433 115.8091 59.3199 38.0652 175.2124 197 E 4.4929 8.1490 121.8295 56.2813 30.2875 176.5328 198 I 4.2155 8.2138 128.9473 59.6556 37.7503 173.9419 199 P 4.3660 0.0000 0.0000 62.4172 32.1484 176.8368 200 G 3.7373 8.6274 111.7867 45.6162 0.0000 173.2180 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 L 8.17 4.27 0.00 1.65 1.71 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.20 4.30 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 D 8.44 4.56 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.61 4.09 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 7 K 8.20 4.09 0.00 1.93 1.84 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.64 7.81 8 R 8.47 3.86 0.00 1.90 1.95 0.00 3.05 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.00 9 E 7.99 3.95 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 10 S 8.07 4.06 0.00 4.08 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.63 3.69 2.18 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.98 0.00 0.00 12 V 8.11 3.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 13 Q 8.57 3.92 0.00 2.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 14 A 7.99 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.81 3.23 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.73 3.66 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.90 0.00 0.00 17 A 7.89 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.30 3.85 0.00 1.66 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 19 F 7.73 5.17 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.27 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.90 4.55 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.60 4.24 0.00 1.77 2.00 0.00 3.29 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 23 G 7.78 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.80 3.83 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.21 3.83 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 26 I 7.60 3.92 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.54 0.92 0.00 0.00 27 T 7.44 4.31 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 28 S 8.04 4.67 0.00 4.10 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 D 8.65 4.45 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.66 3.80 0.00 1.86 1.97 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 32 I 7.83 3.54 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.35 0.75 0.00 0.00 33 A 7.81 3.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.11 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.49 4.38 0.00 2.02 2.10 0.00 2.96 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 36 A 8.28 3.69 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.70 3.72 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 38 V 8.00 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 39 S 8.06 4.51 0.00 3.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.79 3.93 0.00 1.91 2.13 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.58 7.81 41 R 8.09 4.02 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 42 T 8.01 3.94 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 V 7.67 3.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 44 Y 7.55 4.77 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.92 4.47 0.00 2.82 2.79 0.00 0.00 7.05 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.20 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.32 4.02 0.00 3.49 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.17 3.64 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.95 0.97 0.00 0.00 136 R 8.03 3.76 0.00 1.88 2.08 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 137 A 7.76 3.67 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.37 2.58 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 7.87 3.77 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 140 K 7.56 3.85 0.00 1.73 1.79 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.53 7.81 141 D 7.49 4.62 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.91 4.55 0.00 1.85 1.95 0.00 3.13 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 144 L 7.62 5.25 0.00 1.34 1.47 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.60 4.33 0.00 1.64 1.89 0.00 1.09 0.00 0.00 1.29 0.00 0.00 2.51 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.49 1.29 7.81 146 P 0.00 4.25 0.00 2.20 2.05 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 147 V 7.81 4.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.11 0.00 0.00 148 D 8.62 4.35 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.37 0.00 2.23 2.16 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 150 G 8.24 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.43 4.11 0.00 3.19 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.12 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.14 4.19 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.86 4.09 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 155 Q 7.51 4.24 0.00 2.60 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 *157 H 8.35 4.71 0.00 3.54 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.65 4.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.17 4.16 0.00 1.72 1.86 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.80 4.56 0.00 1.96 1.74 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.55 4.10 0.00 2.00 1.98 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.47 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.94 1.29 7.81 162 S 7.99 4.39 0.00 3.78 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.17 4.84 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.38 4.84 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 8.62 4.63 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 W 8.21 4.54 0.00 3.51 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.63 0.00 2.29 2.29 0.00 3.75 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 168 Q 7.99 4.29 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 169 V 7.60 3.47 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.07 0.00 0.00 170 T 8.15 4.14 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 171 F 7.83 4.82 0.00 3.26 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.49 4.55 0.00 2.81 2.84 0.00 0.00 7.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 7.58 4.26 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.29 4.25 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.19 4.25 0.00 1.67 1.67 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.29 4.40 0.00 1.69 1.64 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.73 4.13 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 178 P 0.00 4.38 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 179 Q 8.21 4.03 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 180 E 8.10 3.92 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 181 Q 8.38 3.92 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 182 S 8.36 3.97 0.00 4.29 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 N 8.18 4.14 0.00 3.02 2.79 0.00 0.00 7.13 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.56 3.39 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.92 0.00 0.00 185 V 7.58 3.30 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.05 0.00 0.00 186 E 8.39 3.87 0.00 2.39 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 187 S 7.80 4.14 0.00 4.12 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.90 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.24 4.11 0.00 1.86 1.93 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 190 N 8.34 4.49 0.00 2.98 2.86 0.00 0.00 6.73 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *192 F 7.93 4.76 0.00 3.35 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 L 8.98 4.29 0.00 1.97 1.97 1.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 194 G 7.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 W 7.93 4.45 0.00 3.15 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 7.74 4.08 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.15 4.49 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 198 I 8.21 4.22 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.86 0.00 0.00 199 P 0.00 4.37 0.00 2.07 2.06 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 200 G 8.63 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.